| SpectraBase Compound ID | 8RBSZ5xxC8r |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-2-3-16-23-19(21)14-8-5-9-15-20(22)24-17-10-13-18-11-6-4-7-12-18/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3 |
| InChIKey | RAWSNMXVOPHMOK-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ak1HSBmaprW |
|---|---|
| Name | Pimelic acid, butyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-2-3-16-23-19(21)14-8-5-9-15-20(22)24-17-10-13-18-11-6-4-7-12-18/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3 |
| InChIKey | RAWSNMXVOPHMOK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCC)=O |